(E)-1-[(2R)-2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-3-phenylprop-2-en-1-one

C25H20N2O — CID 92523760

IUPAC(E)-1-[(2R)-2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1c2ccccc2C[C@@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C25H20N2O/c28-25(15-14-18-8-2-1-3-9-18)27-23-13-7-4-10-19(23)16-24(27)21-17-26-22-12-6-5-11-20(21)22/h1-15,17,24,26H,16H2/b15-14+/t24-/m1/s1
InChIKeyDMQRESCOMHWLMW-DKUDOZJNSA-N
MW364.45 g/mol
LogP5.51
Rot. Bonds3

About (E)-1-[(2R)-2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-3-phenylprop-2-en-1-one

(E)-1-[(2R)-2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-3-phenylprop-2-en-1-one (PubChem CID 92523760) has the molecular formula C25H20N2O and a molecular weight of 364.45 g/mol. Its IUPAC name is (E)-1-[(2R)-2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[(2R)-2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-3-phenylprop-2-en-1-one
PubChem CID92523760
Molecular FormulaC25H20N2O
Molecular Weight364.45 g/mol
Exact Mass364.16
IUPAC Name(E)-1-[(2R)-2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1c2ccccc2C[C@@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C25H20N2O/c28-25(15-14-18-8-2-1-3-9-18)27-23-13-7-4-10-19(23)16-24(27)21-17-26-22-12-6-5-11-20(21)22/h1-15,17,24,26H,16H2/b15-14+/t24-/m1/s1
InChIKeyDMQRESCOMHWLMW-DKUDOZJNSA-N
XLogP5.51
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[(2R)-2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[(2R)-2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-3-phenylprop-2-en-1-one (CID 92523760) is (E)-1-[(2R)-2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[(2R)-2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[(2R)-2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)N1c2ccccc2C[C@@H]1c1c[nH]c2ccccc12.
What is the InChIKey of (E)-1-[(2R)-2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-3-phenylprop-2-en-1-one?
The InChIKey is DMQRESCOMHWLMW-DKUDOZJNSA-N. The full InChI is InChI=1S/C25H20N2O/c28-25(15-14-18-8-2-1-3-9-18)27-23-13-7-4-10-19(23)16-24(27)21-17-26-22-12-6-5-11-20(21)22/h1-15,17,24,26H,16H2/b15-14+/t24-/m1/s1.
What are the key properties of (E)-1-[(2R)-2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-3-phenylprop-2-en-1-one?
(E)-1-[(2R)-2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-3-phenylprop-2-en-1-one has a molecular weight of 364.45 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(2R)-2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 92523760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).